3-fluoro-N-(4,5,6,7-tetrahydro-1-benzothiophen-3-ylmethyl)imidazo[1,2-a]pyridine-2-carboxamide

C17H16FN3OS — CID 72853923

IUPAC3-fluoro-N-(4,5,6,7-tetrahydro-1-benzothiophen-3-ylmethyl)imidazo[1,2-a]pyridine-2-carboxamide
SMILESO=C(NCc1csc2c1CCCC2)c1nc2ccccn2c1F
InChIInChI=1S/C17H16FN3OS/c18-16-15(20-14-7-3-4-8-21(14)16)17(22)19-9-11-10-23-13-6-2-1-5-12(11)13/h3-4,7-8,10H,1-2,5-6,9H2,(H,19,22)
InChIKeyHZKOUHSGBZETRM-UHFFFAOYSA-N
MW329.40 g/mol
LogP3.34
Rot. Bonds3

About 3-fluoro-N-(4,5,6,7-tetrahydro-1-benzothiophen-3-ylmethyl)imidazo[1,2-a]pyridine-2-carboxamide

3-fluoro-N-(4,5,6,7-tetrahydro-1-benzothiophen-3-ylmethyl)imidazo[1,2-a]pyridine-2-carboxamide (PubChem CID 72853923) has the molecular formula C17H16FN3OS and a molecular weight of 329.40 g/mol. Its IUPAC name is 3-fluoro-N-(4,5,6,7-tetrahydro-1-benzothiophen-3-ylmethyl)imidazo[1,2-a]pyridine-2-carboxamide.

Molecular Properties

Compound Name3-fluoro-N-(4,5,6,7-tetrahydro-1-benzothiophen-3-ylmethyl)imidazo[1,2-a]pyridine-2-carboxamide
PubChem CID72853923
Molecular FormulaC17H16FN3OS
Molecular Weight329.40 g/mol
Exact Mass329.10
IUPAC Name3-fluoro-N-(4,5,6,7-tetrahydro-1-benzothiophen-3-ylmethyl)imidazo[1,2-a]pyridine-2-carboxamide
SMILESO=C(NCc1csc2c1CCCC2)c1nc2ccccn2c1F
InChIInChI=1S/C17H16FN3OS/c18-16-15(20-14-7-3-4-8-21(14)16)17(22)19-9-11-10-23-13-6-2-1-5-12(11)13/h3-4,7-8,10H,1-2,5-6,9H2,(H,19,22)
InChIKeyHZKOUHSGBZETRM-UHFFFAOYSA-N
XLogP3.34
TPSA46.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.40
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-fluoro-N-(4,5,6,7-tetrahydro-1-benzothiophen-3-ylmethyl)imidazo[1,2-a]pyridine-2-carboxamide with MolForge

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Related Compounds

2-(1-oxophthalazin-2-yl)-N-(4,5,6,7-tetrahydro-1-benzothiophen-3-ylmethyl)acetamide
CID 74233967
N-[2-(2-chlorophenyl)ethyl]-3-fluoroimidazo[1,2-a]pyridine-2-carboxamide
CID 77079749
5-methyl-N-(4,5,6,7-tetrahydro-1-benzothiophen-3-ylmethyl)-1,3-oxazole-4-carboxamide
CID 74245818
6-(methoxymethyl)-N-(4,5,6,7-tetrahydro-1-benzothiophen-3-ylmethyl)pyridine-2-carboxamide
CID 74231962
N-(4,5,6,7-tetrahydro-1-benzothiophen-3-ylmethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-5-carboxamide
CID 155492420
7-hydroxy-4-oxo-N-(4,5,6,7-tetrahydro-1-benzothiophen-3-ylmethyl)-5,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-2-carboxamide
CID 135088020
4-methyl-N-[(2-phenylimidazo[1,2-a]pyridin-3-yl)methyl]benzamide
CID 54857010
3-(2-ethylimidazol-1-yl)-N-(4,5,6,7-tetrahydro-1-benzothiophen-3-ylmethyl)propanamide
CID 131926060
1,2,3,4-tetrahydropyrido[2,1-b]quinazolin-11-one
CID 523987
N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide
CID 71705183
3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)-N-(4,5,6,7-tetrahydro-1-benzothiophen-3-ylmethyl)propanamide
CID 74251066
2,3-dimethyl-4-oxo-N-(4,5,6,7-tetrahydro-1-benzothiophen-3-ylmethyl)-5,7-dihydropyrrolo[3,4-d]pyrimidine-6-carboxamide
CID 122556134

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N-(4,5,6,7-tetrahydro-1-benzothiophen-3-ylmethyl)imidazo[1,2-a]pyridine-2-carboxamide?
The IUPAC name of 3-fluoro-N-(4,5,6,7-tetrahydro-1-benzothiophen-3-ylmethyl)imidazo[1,2-a]pyridine-2-carboxamide (CID 72853923) is 3-fluoro-N-(4,5,6,7-tetrahydro-1-benzothiophen-3-ylmethyl)imidazo[1,2-a]pyridine-2-carboxamide.
What is the SMILES notation for 3-fluoro-N-(4,5,6,7-tetrahydro-1-benzothiophen-3-ylmethyl)imidazo[1,2-a]pyridine-2-carboxamide?
The canonical SMILES for 3-fluoro-N-(4,5,6,7-tetrahydro-1-benzothiophen-3-ylmethyl)imidazo[1,2-a]pyridine-2-carboxamide is O=C(NCc1csc2c1CCCC2)c1nc2ccccn2c1F.
What is the InChIKey of 3-fluoro-N-(4,5,6,7-tetrahydro-1-benzothiophen-3-ylmethyl)imidazo[1,2-a]pyridine-2-carboxamide?
The InChIKey is HZKOUHSGBZETRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16FN3OS/c18-16-15(20-14-7-3-4-8-21(14)16)17(22)19-9-11-10-23-13-6-2-1-5-12(11)13/h3-4,7-8,10H,1-2,5-6,9H2,(H,19,22).
What are the key properties of 3-fluoro-N-(4,5,6,7-tetrahydro-1-benzothiophen-3-ylmethyl)imidazo[1,2-a]pyridine-2-carboxamide?
3-fluoro-N-(4,5,6,7-tetrahydro-1-benzothiophen-3-ylmethyl)imidazo[1,2-a]pyridine-2-carboxamide has a molecular weight of 329.40 g/mol, XLogP of 3.34, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-N-(4,5,6,7-tetrahydro-1-benzothiophen-3-ylmethyl)imidazo[1,2-a]pyridine-2-carboxamide is sourced from PubChem (CID 72853923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).